AmberTools

AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.

homepage: https://ambermd.org/

version	versionsuffix	toolchain
17	-Python-2.7.14	foss/2018a
17		intel/2017b
17		intel/2018a
20	-Python-3.8.2	intel/2020a
21		foss/2021a
21		intel/2021b
21.12		foss/2021b
22.3		foss/2021b
23.6		foss/2023a

(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)